1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea

C14H11F4N3O3S — CID 56836446

IUPAC1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2F)cc1
InChIInChI=1S/C14H11F4N3O3S/c15-12-10(14(16,17)18)2-1-3-11(12)21-13(22)20-8-4-6-9(7-5-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
InChIKeyGLXGGCNHVXMWIX-UHFFFAOYSA-N
MW377.32 g/mol
LogP3.14
Rot. Bonds3

About 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea

1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 56836446) has the molecular formula C14H11F4N3O3S and a molecular weight of 377.32 g/mol. Its IUPAC name is 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
PubChem CID56836446
Molecular FormulaC14H11F4N3O3S
Molecular Weight377.32 g/mol
Exact Mass377.05
IUPAC Name1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2F)cc1
InChIInChI=1S/C14H11F4N3O3S/c15-12-10(14(16,17)18)2-1-3-11(12)21-13(22)20-8-4-6-9(7-5-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
InChIKeyGLXGGCNHVXMWIX-UHFFFAOYSA-N
XLogP3.14
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea (CID 56836446) is 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2F)cc1.
What is the InChIKey of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is GLXGGCNHVXMWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N3O3S/c15-12-10(14(16,17)18)2-1-3-11(12)21-13(22)20-8-4-6-9(7-5-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22).
What are the key properties of 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea?
1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 377.32 g/mol, XLogP of 3.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 56836446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).